CID 5353376

110683-10-8

Structural Information

Molecular Formula
C21H23NO3
SMILES
CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
InChIKey
GAMRBCZMOOMBSQ-CCEZHUSRSA-N
Compound name
2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

84
Patents

337.1678 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 183.0
[M+Na]+ 360.15702 187.2
[M-H]- 336.16052 187.5
[M+NH4]+ 355.20162 195.1
[M+K]+ 376.13096 181.8
[M+H-H2O]+ 320.16506 174.3
[M+HCOO]- 382.16600 203.6
[M+CH3COO]- 396.18165 211.9
[M+Na-2H]- 358.14247 183.3
[M]+ 337.16725 183.4
[M]- 337.16835 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe